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Compile Data Set for Download or QSAR

Found 269 hits with Last Name = 'sekino' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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1.70n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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1.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in HEK293 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in HEK293 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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3.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse recombinant histamine H3 receptor


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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3.90n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse recombinant histamine H3 receptor


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor H3


(Macaca mulatta (Rhesus macaque))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
UniProtKB/TrEMBL

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4.30n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in HEK293T cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50274692
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fl...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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6n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in HEK293 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274692
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fl...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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6.80n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50274692
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fl...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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8.40n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse recombinant histamine H3 receptor


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50262939
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-20-7-4-6-19(23(24,25)26)21(20)22(30)29(16)17-8-10-18(11-9-17)31-15-5-14-28-12-2-3-13-28/h4,6-11H,2-3,5,12-15H2,1H3
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33n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor expressed in HEK293 cells coexpressed with CRE-beta-lactamase


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50258478
PNG
(2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[fur...)
Show SMILES FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H29F4N5O2/c28-7-14-35(26(37)25(36-11-1-8-33-36)19-3-4-22(29)23(30)15-19)10-2-9-34-12-5-27(6-13-34)21-17-32-24(31)16-20(21)18-38-27/h1,3-4,8,11,15-17,25H,2,5-7,9-10,12-14,18H2
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n/an/a 0.0900n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50258478
PNG
(2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spiro[fur...)
Show SMILES FCCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H29F4N5O2/c28-7-14-35(26(37)25(36-11-1-8-33-36)19-3-4-22(29)23(30)15-19)10-2-9-34-12-5-27(6-13-34)21-17-32-24(31)16-20(21)18-38-27/h1,3-4,8,11,15-17,25H,2,5-7,9-10,12-14,18H2
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n/an/a 0.0900n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301705
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES CCO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H26F3N3O2/c1-2-35-32-26(20-7-8-23(28)24(29)13-20)19-5-3-18(4-6-19)16-33-11-9-27(10-12-33)22-15-31-25(30)14-21(22)17-34-27/h3-8,13-15H,2,9-12,16-17H2,1H3/b32-26-
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n/an/a 0.120n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50258477
PNG
(2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluoro-1H-s...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C27H30F3N5O2/c1-2-34(26(36)25(35-12-3-9-32-35)19-5-6-22(28)23(29)15-19)11-4-10-33-13-7-27(8-14-33)21-17-31-24(30)16-20(21)18-37-27/h3,5-6,9,12,15-17,25H,2,4,7-8,10-11,13-14,18H2,1H3
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n/an/a 0.150n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301704
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES CO\N=C(\c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C26H24F3N3O2/c1-33-31-25(19-6-7-22(27)23(28)12-19)18-4-2-17(3-5-18)15-32-10-8-26(9-11-32)21-14-30-24(29)13-20(21)16-34-26/h2-7,12-14H,8-11,15-16H2,1H3/b31-25-
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n/an/a 0.220n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301702
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H22F3N3O2/c26-21-6-5-18(11-22(21)27)24(30-32)17-3-1-16(2-4-17)14-31-9-7-25(8-10-31)20-13-29-23(28)12-19(20)15-33-25/h1-6,11-13,24H,7-10,14-15H2
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n/an/a 0.260n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274200
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2,5-...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O2/c1-17-5-3-8-23-24(17)25(29)28(18(2)26-23)20-9-11-21(12-10-20)30-22-13-15-27(16-14-22)19-6-4-7-19/h3,5,8-12,19,22H,4,6-7,13-16H2,1-2H3
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n/an/a 0.270n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274235
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2cccc(c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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n/an/a 0.330n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274798
PNG
(5-Chloro-3-(4-[(1-cyclobutyl-4-piperidinyl)oxy]phe...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26ClN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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n/an/a 0.340n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301706
PNG
((Z)-(3,4-difluorophenyl)(5-((6-fluoro-1H-spiro[fur...)
Show SMILES CCO\N=C(\c1ccc(F)c(F)c1)c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cn1
Show InChI InChI=1S/C26H25F3N4O2/c1-2-35-32-25(18-4-5-21(27)22(28)11-18)23-6-3-17(13-30-23)15-33-9-7-26(8-10-33)20-14-31-24(29)12-19(20)16-34-26/h3-6,11-14H,2,7-10,15-16H2,1H3/b32-25-
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n/an/a 0.350n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50295690
PNG
((+/-)-2-(3,4-difluorophenyl)-N-ethyl-N-(3-(6-fluor...)
Show SMILES CCN(CCCN1CCC2(CC1)OCc1ccc(F)cc21)C(=O)C(N1CCN(CC1=O)S(C)(=O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H37F3N4O5S/c1-3-35(12-4-11-34-13-9-30(10-14-34)24-18-23(31)7-5-22(24)20-42-30)29(39)28(21-6-8-25(32)26(33)17-21)37-16-15-36(19-27(37)38)43(2,40)41/h5-8,17-18,28H,3-4,9-16,19-20H2,1-2H3
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n/an/a 0.360n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50258450
PNG
((+/-)-2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spi...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3
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n/an/a 0.460n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274692
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-fl...)
Show SMILES Cc1nc2cccc(F)c2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-22-7-3-6-21(25)23(22)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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n/an/a 0.550n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50247054
PNG
(6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...)
Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1
Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
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n/an/a 0.550n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50139391
PNG
((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...)
Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1
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n/an/a 0.630n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262794
PNG
(2-Phenyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES O=c1n(-c2ccc(OCCCN3CCCC3)cc2)c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C27H27N3O2/c31-27-24-11-4-5-12-25(24)28-26(21-9-2-1-3-10-21)30(27)22-13-15-23(16-14-22)32-20-8-19-29-17-6-7-18-29/h1-5,9-16H,6-8,17-20H2
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n/an/a 0.660n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262792
PNG
(2-Propyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-2-8-23-25-22-10-4-3-9-21(22)24(28)27(23)19-11-13-20(14-12-19)29-18-7-17-26-15-5-6-16-26/h3-4,9-14H,2,5-8,15-18H2,1H3
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n/an/a 0.690n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262747
PNG
(2-Methyl-3-[4-({3-[(3S)-3-methyl-1-piperidinyl]pro...)
Show SMILES C[C@H]1CCCN(CCCOc2ccc(cc2)-n2c(C)nc3ccccc3c2=O)C1 |r|
Show InChI InChI=1S/C24H29N3O2/c1-18-7-5-14-26(17-18)15-6-16-29-21-12-10-20(11-13-21)27-19(2)25-23-9-4-3-8-22(23)24(27)28/h3-4,8-13,18H,5-7,14-17H2,1-2H3/t18-/m0/s1
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n/an/a 0.720n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262793
PNG
(2-Isopropyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}ph...)
Show SMILES CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C24H29N3O2/c1-18(2)23-25-22-9-4-3-8-21(22)24(28)27(23)19-10-12-20(13-11-19)29-17-7-16-26-14-5-6-15-26/h3-4,8-13,18H,5-7,14-17H2,1-2H3
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n/an/a 0.810n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274736
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-8-fl...)
Show SMILES Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-23-21(6-3-7-22(23)25)24(29)28(16)18-8-10-19(11-9-18)30-20-12-14-27(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3
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n/an/a 0.840n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274737
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-6,7-...)
Show SMILES Cc1nc2cc(F)c(F)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H25F2N3O2/c1-15-27-23-14-22(26)21(25)13-20(23)24(30)29(15)17-5-7-18(8-6-17)31-19-9-11-28(12-10-19)16-3-2-4-16/h5-8,13-14,16,19H,2-4,9-12H2,1H3
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n/an/a 0.910n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262937
PNG
(2-Methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}pheny...)
Show SMILES Cc1nc2cc(ccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1)C(F)(F)F
Show InChI InChI=1S/C23H24F3N3O2/c1-16-27-21-15-17(23(24,25)26)5-10-20(21)22(30)29(16)18-6-8-19(9-7-18)31-14-4-13-28-11-2-3-12-28/h5-10,15H,2-4,11-14H2,1H3
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n/an/a 0.960n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262795
PNG
(2,5-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
Show InChI InChI=1S/C23H27N3O2/c1-17-7-5-8-21-22(17)23(27)26(18(2)24-21)19-9-11-20(12-10-19)28-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 0.980n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50258315
PNG
((+/-)-N-(3-(3H-spiro[isobenzofuran-1,4'-piperidine...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1ccccc21)C(=O)C(c1ccccc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C30H32F2N2O2/c1-33(29(35)28(22-8-3-2-4-9-22)23-12-13-26(31)27(32)20-23)16-7-17-34-18-14-30(15-19-34)25-11-6-5-10-24(25)21-36-30/h2-6,8-13,20,28H,7,14-19,21H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262838
PNG
(6-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1ccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c2c1
Show InChI InChI=1S/C23H27N3O3/c1-17-24-22-11-10-20(28-2)16-21(22)23(27)26(17)18-6-8-19(9-7-18)29-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 1.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274037
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-5-me...)
Show SMILES COc1cccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c12
Show InChI InChI=1S/C25H29N3O3/c1-17-26-22-7-4-8-23(30-2)24(22)25(29)28(17)19-9-11-20(12-10-19)31-21-13-15-27(16-14-21)18-5-3-6-18/h4,7-12,18,21H,3,5-6,13-16H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301702
PNG
((Z)-(3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[fur...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(N=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H22F3N3O2/c26-21-6-5-18(11-22(21)27)24(30-32)17-3-1-16(2-4-17)14-31-9-7-25(8-10-31)20-13-29-23(28)12-19(20)15-33-25/h1-6,11-13,24H,7-10,14-15H2
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274734
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-6-fl...)
Show SMILES Cc1nc2ccc(F)cc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-23-10-5-17(25)15-22(23)24(29)28(16)19-6-8-20(9-7-19)30-21-11-13-27(14-12-21)18-3-2-4-18/h5-10,15,18,21H,2-4,11-14H2,1H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262835
PNG
(2,7-Dimethyl-3-(4-{[3-(1-pyrrolidinyl)propyl]oxy}p...)
Show SMILES Cc1ccc2c(c1)nc(C)n(-c1ccc(OCCCN3CCCC3)cc1)c2=O
Show InChI InChI=1S/C23H27N3O2/c1-17-6-11-21-22(16-17)24-18(2)26(23(21)27)19-7-9-20(10-8-19)28-15-5-14-25-12-3-4-13-25/h6-11,16H,3-5,12-15H2,1-2H3
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n/an/a 1.20n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274735
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-7-fl...)
Show SMILES Cc1nc2cc(F)ccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H26FN3O2/c1-16-26-23-15-17(25)5-10-22(23)24(29)28(16)19-6-8-20(9-7-19)30-21-11-13-27(14-12-21)18-3-2-4-18/h5-10,15,18,21H,2-4,11-14H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301698
PNG
(3,4-difluoro-N-(4-((6-fluoro-1H-spiro[furo[3,4-c]p...)
Show SMILES CN(c1ccc(CN2CCC3(CC2)OCc2cc(F)ncc32)cc1)c1ccc(F)c(F)c1
Show InChI InChI=1S/C25H24F3N3O/c1-30(20-6-7-22(26)23(27)13-20)19-4-2-17(3-5-19)15-31-10-8-25(9-11-31)21-14-29-24(28)12-18(21)16-32-25/h2-7,12-14H,8-11,15-16H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262837
PNG
(5-Methoxy-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl...)
Show SMILES COc1cccc2nc(C)n(-c3ccc(OCCCN4CCCC4)cc3)c(=O)c12
Show InChI InChI=1S/C23H27N3O3/c1-17-24-20-7-5-8-21(28-2)22(20)23(27)26(17)18-9-11-19(12-10-18)29-16-6-15-25-13-3-4-14-25/h5,7-12H,3-4,6,13-16H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262936
PNG
(5-Chloro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2cccc(Cl)c2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24ClN3O2/c1-16-24-20-7-4-6-19(23)21(20)22(27)26(16)17-8-10-18(11-9-17)28-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50258450
PNG
((+/-)-2-(3,4-difluorophenyl)-N-(3-(6-fluoro-1H-spi...)
Show SMILES CN(CCCN1CCC2(CC1)OCc1cc(F)ncc21)C(=O)C(c1ccc(F)c(F)c1)n1cccn1
Show InChI InChI=1S/C26H28F3N5O2/c1-32(25(35)24(34-11-2-8-31-34)18-4-5-21(27)22(28)14-18)9-3-10-33-12-6-26(7-13-33)20-16-30-23(29)15-19(20)17-36-26/h2,4-5,8,11,14-16,24H,3,6-7,9-10,12-13,17H2,1H3
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n/an/a 1.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCHR1 expressed in CHO cells


Bioorg Med Chem Lett 19: 3072-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.016
BindingDB Entry DOI: 10.7270/Q2668D3W
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (Human))
BDBM50301701
PNG
((3,4-difluorophenyl)(4-((6-fluoro-1H-spiro[furo[3,...)
Show SMILES Fc1cc2COC3(CCN(Cc4ccc(cc4)C(=O)c4ccc(F)c(F)c4)CC3)c2cn1
Show InChI InChI=1S/C25H21F3N2O2/c26-21-6-5-18(11-22(21)27)24(31)17-3-1-16(2-4-17)14-30-9-7-25(8-10-30)20-13-29-23(28)12-19(20)15-32-25/h1-6,11-13H,7-10,14-15H2
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n/an/a 1.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]MCH from human MCH1R expressed in CHO cells


Bioorg Med Chem Lett 19: 5339-45 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.132
BindingDB Entry DOI: 10.7270/Q27P90BK
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274038
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-6-me...)
Show SMILES COc1ccc2nc(C)n(-c3ccc(OC4CCN(CC4)C4CCC4)cc3)c(=O)c2c1
Show InChI InChI=1S/C25H29N3O3/c1-17-26-24-11-10-22(30-2)16-23(24)25(29)28(17)19-6-8-20(9-7-19)31-21-12-14-27(15-13-21)18-4-3-5-18/h6-11,16,18,21H,3-5,12-15H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50274616
PNG
(3-(4-[(1-Cyclobutyl-4-piperidinyl)oxy]phenyl)-2-me...)
Show SMILES Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C24H27N3O2/c1-17-25-23-8-3-2-7-22(23)24(28)27(17)19-9-11-20(12-10-19)29-21-13-15-26(16-14-21)18-5-4-6-18/h2-3,7-12,18,21H,4-6,13-16H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned histamine H3 receptor expressed in CHO-K1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]GT...


J Med Chem 51: 6889-901 (2008)


Article DOI: 10.1021/jm800569w
BindingDB Entry DOI: 10.7270/Q27P8Z60
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50262887
PNG
(8-Fluoro-2-methyl-3-(4-{[3-(1-pyrrolidinyl)propyl]...)
Show SMILES Cc1nc2c(F)cccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H24FN3O2/c1-16-24-21-19(6-4-7-20(21)23)22(27)26(16)17-8-10-18(11-9-17)28-15-5-14-25-12-2-3-13-25/h4,6-11H,2-3,5,12-15H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO-K1 cells


J Med Chem 51: 4780-9 (2008)


Article DOI: 10.1021/jm8003834
BindingDB Entry DOI: 10.7270/Q2FQ9WFW
More data for this
Ligand-Target Pair
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